1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene

C11H12F6 — CID 173293175

IUPAC1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene
SMILESCC(C)(C)CC1=C(F)C(F)=C(F)C(F)(F)C1F
InChIInChI=1S/C11H12F6/c1-10(2,3)4-5-6(12)7(13)9(15)11(16,17)8(5)14/h8H,4H2,1-3H3
InChIKeySCSWWIOFSWLFDG-UHFFFAOYSA-N
MW258.20 g/mol
LogP4.78
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene

1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene (PubChem CID 173293175) has the molecular formula C11H12F6 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene
PubChem CID173293175
Molecular FormulaC11H12F6
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene
SMILESCC(C)(C)CC1=C(F)C(F)=C(F)C(F)(F)C1F
InChIInChI=1S/C11H12F6/c1-10(2,3)4-5-6(12)7(13)9(15)11(16,17)8(5)14/h8H,4H2,1-3H3
InChIKeySCSWWIOFSWLFDG-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene (CID 173293175) is 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene is CC(C)(C)CC1=C(F)C(F)=C(F)C(F)(F)C1F.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene?
The InChIKey is SCSWWIOFSWLFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6/c1-10(2,3)4-5-6(12)7(13)9(15)11(16,17)8(5)14/h8H,4H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene?
1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene has a molecular weight of 258.20 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2,3,4,5,5,6-hexafluorocyclohexa-1,3-diene is sourced from PubChem (CID 173293175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).